6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione

C8H6N6O5 — CID 6299832

IUPAC6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N/N=C\c2ccc([N+](=O)[O-])o2)c(=O)[nH]1
InChIInChI=1S/C8H6N6O5/c15-7-6(12-13-8(16)10-7)11-9-3-4-1-2-5(19-4)14(17)18/h1-3H,(H,11,12)(H2,10,13,15,16)/b9-3-
InChIKeyKPWPYRCOBVLROF-OQFOIZHKSA-N
MW266.17 g/mol
LogP-0.59
Rot. Bonds4

About 6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione

6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione (PubChem CID 6299832) has the molecular formula C8H6N6O5 and a molecular weight of 266.17 g/mol. Its IUPAC name is 6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
PubChem CID6299832
Molecular FormulaC8H6N6O5
Molecular Weight266.17 g/mol
Exact Mass266.04
IUPAC Name6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
SMILESO=c1[nH]nc(N/N=C\c2ccc([N+](=O)[O-])o2)c(=O)[nH]1
InChIInChI=1S/C8H6N6O5/c15-7-6(12-13-8(16)10-7)11-9-3-4-1-2-5(19-4)14(17)18/h1-3H,(H,11,12)(H2,10,13,15,16)/b9-3-
InChIKeyKPWPYRCOBVLROF-OQFOIZHKSA-N
XLogP-0.59
TPSA159.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione with MolForge

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Related Compounds

6-[2-[(4-bromophenyl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione
CID 4282332
N-[(E)-(5-nitrofuran-2-yl)methylideneamino]pyridin-2-amine
CID 5339902
2-[2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoic acid
CID 3584414
1,3-dimethyl-6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]pyrimidine-2,4-dione
CID 6273750
N-[(5-nitrofuran-2-yl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 4055851
2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]benzoate
CID 7441988
N-methyl-N-[(5-nitrofuran-2-yl)methylideneamino]methanamine
CID 2732920
6-fluoro-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,3-benzothiazol-2-amine
CID 87413708
N-[(5-nitrofuran-2-yl)methylideneamino]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 4702631
N-[(1S)-2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-3H-phthalazin-1-yl)ethyl]benzamide
CID 92847195
4-methyl-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]quinolin-2-amine
CID 6248090
[(E)-(5-nitrofuran-2-yl)methylideneamino]urea;phosphoric acid
CID 139205306

Frequently Asked Questions

What is the IUPAC name of 6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione (CID 6299832) is 6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione is O=c1[nH]nc(N/N=C\c2ccc([N+](=O)[O-])o2)c(=O)[nH]1.
What is the InChIKey of 6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
The InChIKey is KPWPYRCOBVLROF-OQFOIZHKSA-N. The full InChI is InChI=1S/C8H6N6O5/c15-7-6(12-13-8(16)10-7)11-9-3-4-1-2-5(19-4)14(17)18/h1-3H,(H,11,12)(H2,10,13,15,16)/b9-3-.
What are the key properties of 6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione?
6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione has a molecular weight of 266.17 g/mol, XLogP of -0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 6299832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).